Geometry & MOs

Info

ID:	40146
PubChem CID:	8143643
Reduced:	O2N3C15H20 (1)
Stoich.:	A2B3C15D20 (1)
Weight, g/mol:	337.124883
ΔH_f, kcal/mol:	-39.21
Dipole, Da:	2.68
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.757742
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-2-benzylsulfanyl-5-[[4-(dimethylamino)phenyl]methylidene]-1H-imidazol-4-one

Drug info:

PubChemData

Smile

C[C@@]1(C(=O)N(C(=O)N1)C[NH+]2CCCC2)C3=CC=CC=C3

DOS

IR

Vibrations